(2R,3R,4S,5R,6S)-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-(hydroxymethyl)-5-methoxy-4-[4-(1,3-thiazol-4-yl)triazol-1-yl]oxan-3-ol

C23H22ClF3N6O4S — CID 175459604

About (2R,3R,4S,5R,6S)-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-(hydroxymethyl)-5-methoxy-4-[4-(1,3-thiazol-4-yl)triazol-1-yl]oxan-3-ol

(2R,3R,4S,5R,6S)-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-(hydroxymethyl)-5-methoxy-4-[4-(1,3-thiazol-4-yl)triazol-1-yl]oxan-3-ol (PubChem CID 175459604) has the molecular formula C23H22ClF3N6O4S and a molecular weight of 570.98 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-(hydroxymethyl)-5-methoxy-4-[4-(1,3-thiazol-4-yl)triazol-1-yl]oxan-3-ol.

Molecular Properties

• Compound Name: (2R,3R,4S,5R,6S)-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-(hydroxymethyl)-5-methoxy-4-[4-(1,3-thiazol-4-yl)triazol-1-yl]oxan-3-ol
• PubChem CID: 175459604
• Molecular Formula: C23H22ClF3N6O4S
• Molecular Weight: 570.98 g/mol
• Exact Mass: 570.11
• IUPAC Name: (2R,3R,4S,5R,6S)-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-(hydroxymethyl)-5-methoxy-4-[4-(1,3-thiazol-4-yl)triazol-1-yl]oxan-3-ol
• SMILES: CO[C@@H]1[C@@H](n2cc(-c3cscn3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1c1cc(C)nn1-c1cc(Cl)ccc1C(F)(F)F
• InChI: InChI=1S/C23H22ClF3N6O4S/c1-11-5-17(33(30-11)16-6-12(24)3-4-13(16)23(25,26)27)21-22(36-2)19(20(35)18(8-34)37-21)32-7-14(29-31-32)15-9-38-10-28-15/h3-7,9-10,18-22,34-35H,8H2,1-2H3/t18-,19+,20+,21+,22-/m1/s1
• InChIKey: LRWFTLHMVQSAMO-LLVBAIKDSA-N
• XLogP: 3.62
• TPSA: 120.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.98
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-(hydroxymethyl)-5-methoxy-4-[4-(1,3-thiazol-4-yl)triazol-1-yl]oxan-3-ol?

The IUPAC name of (2R,3R,4S,5R,6S)-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-(hydroxymethyl)-5-methoxy-4-[4-(1,3-thiazol-4-yl)triazol-1-yl]oxan-3-ol (CID 175459604) is (2R,3R,4S,5R,6S)-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-(hydroxymethyl)-5-methoxy-4-[4-(1,3-thiazol-4-yl)triazol-1-yl]oxan-3-ol.

What is the SMILES notation for (2R,3R,4S,5R,6S)-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-(hydroxymethyl)-5-methoxy-4-[4-(1,3-thiazol-4-yl)triazol-1-yl]oxan-3-ol?

The canonical SMILES for (2R,3R,4S,5R,6S)-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-(hydroxymethyl)-5-methoxy-4-[4-(1,3-thiazol-4-yl)triazol-1-yl]oxan-3-ol is CO[C@@H]1[C@@H](n2cc(-c3cscn3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1c1cc(C)nn1-c1cc(Cl)ccc1C(F)(F)F.

What is the InChIKey of (2R,3R,4S,5R,6S)-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-(hydroxymethyl)-5-methoxy-4-[4-(1,3-thiazol-4-yl)triazol-1-yl]oxan-3-ol?

The InChIKey is LRWFTLHMVQSAMO-LLVBAIKDSA-N. The full InChI is InChI=1S/C23H22ClF3N6O4S/c1-11-5-17(33(30-11)16-6-12(24)3-4-13(16)23(25,26)27)21-22(36-2)19(20(35)18(8-34)37-21)32-7-14(29-31-32)15-9-38-10-28-15/h3-7,9-10,18-22,34-35H,8H2,1-2H3/t18-,19+,20+,21+,22-/m1/s1.

What are the key properties of (2R,3R,4S,5R,6S)-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-(hydroxymethyl)-5-methoxy-4-[4-(1,3-thiazol-4-yl)triazol-1-yl]oxan-3-ol?

(2R,3R,4S,5R,6S)-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-(hydroxymethyl)-5-methoxy-4-[4-(1,3-thiazol-4-yl)triazol-1-yl]oxan-3-ol has a molecular weight of 570.98 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R,6S)-6-[2-[5-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-(hydroxymethyl)-5-methoxy-4-[4-(1,3-thiazol-4-yl)triazol-1-yl]oxan-3-ol is sourced from PubChem (CID 175459604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).